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Compile Data Set for Download or QSAR

Found 229 hits with Last Name = 'masuda' and Initial = 'a'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Thromboxane A2 receptor


(Homo sapiens (Human))		BDBM50008781
PNG
(7-(3-(2-ethyl-N-phenylhydrazinecarboxamide)-7-oxa-...)
Show SMILES OC(=O)CCC\C=C/C[C@H]1[C@@H]2CCC(O2)[C@H]1CNNC(=O)Nc1ccccc1
Show InChI InChI=1S/C21H29N3O4/c25-20(26)11-7-2-1-6-10-16-17(19-13-12-18(16)28-19)14-22-24-21(27)23-15-8-4-3-5-9-15/h1,3-6,8-9,16-19,22H,2,7,10-14H2,(H,25,26)(H2,23,24,27)/b6-1-/t16-,17+,18+,19?/m1/s1
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 4.70n/an/an/an/an/an/an/an/a



Medical University of South Carolina

Curated by PDSP Ki Database




J Pharmacol Exp Ther 251: 557-62 (1989)


BindingDB Entry DOI: 10.7270/Q24Q7SGJ
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))		BDBM81948
PNG
(CAS_89617-02-7 | ONO 11,113 | ONO-11113 | STA2)
Show SMILES CCCCC[C@H](O)\C=C\C1C[C@H]2C[C@H](S2)[C@@H]1C\C=C/CCCC(O)=O |r|
Show InChI InChI=1S/C21H34O3S/c1-2-3-6-9-17(22)13-12-16-14-18-15-20(25-18)19(16)10-7-4-5-8-11-21(23)24/h4,7,12-13,16-20,22H,2-3,5-6,8-11,14-15H2,1H3,(H,23,24)/b7-4-,13-12+/t16?,17-,18-,19+,20-/m0/s1
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 17n/an/an/an/an/an/an/an/a



Medical University of South Carolina

Curated by PDSP Ki Database




J Pharmacol Exp Ther 251: 557-62 (1989)


BindingDB Entry DOI: 10.7270/Q24Q7SGJ
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))		BDBM81949
PNG
(9,11-AzoPGH2 | 9,11-azo PGH2 | J389.306E | PGH2, 9...)
Show SMILES CCCCC[C@H](O)CC[C@@H]1[C@@H](CC=CCCCC(O)=O)c2cc1n[nH]2 |w:12.11,TLB:11:10:21:23.24,THB:8:9:21:23.24|
Show InChI InChI=1S/C20H32N2O3/c1-2-3-6-9-15(23)12-13-17-16(18-14-19(17)22-21-18)10-7-4-5-8-11-20(24)25/h4,7,14-17,23H,2-3,5-6,8-13H2,1H3,(H,21,22)(H,24,25)/b7-4-/t15-,16+,17+/m0/s1
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 41n/an/an/an/an/an/an/an/a



Medical University of South Carolina

Curated by PDSP Ki Database




J Pharmacol Exp Ther 251: 557-62 (1989)


BindingDB Entry DOI: 10.7270/Q24Q7SGJ
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))		BDBM50018531
PNG
((Z)-7-[(S)-6-((E)-(S)-3-Hydroxy-oct-1-enyl)-2-oxa-...)
Show SMILES CCCCC[C@H](O)\C=C\C1[C@H]2C[C@H](CO2)[C@@H]1C\C=C/CCCC(O)=O
Show InChI InChI=1S/C21H34O4/c1-2-3-6-9-17(22)12-13-19-18(16-14-20(19)25-15-16)10-7-4-5-8-11-21(23)24/h4,7,12-13,16-20,22H,2-3,5-6,8-11,14-15H2,1H3,(H,23,24)/b7-4-,13-12+/t16-,17+,18+,19?,20-/m1/s1
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 62n/an/an/an/an/an/an/an/a



Medical University of South Carolina

Curated by PDSP Ki Database




J Pharmacol Exp Ther 251: 557-62 (1989)


BindingDB Entry DOI: 10.7270/Q24Q7SGJ
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))		BDBM81947
PNG
(CAS_113243-00-8 | L-657926)
Show SMILES OC(=O)C[C@@H]1CCCc2c1n(Cc1ccc(Cl)cc1)c1ccc(F)cc21 |r|
Show InChI InChI=1S/C21H19ClFNO2/c22-15-6-4-13(5-7-15)12-24-19-9-8-16(23)11-18(19)17-3-1-2-14(21(17)24)10-20(25)26/h4-9,11,14H,1-3,10,12H2,(H,25,26)/t14-/m0/s1
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 424n/an/an/an/an/an/an/an/a



Medical University of South Carolina

Curated by PDSP Ki Database




J Pharmacol Exp Ther 251: 557-62 (1989)


BindingDB Entry DOI: 10.7270/Q24Q7SGJ
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50552997
PNG
(CHEMBL4797745)
Show SMILES COc1ccc(Oc2ccc(cc2)N2CC(=O)N([C@@H](CC3CCN(CC3)C(=O)C(C)C)c3nc4ccc(F)cc4n3C)C2=O)cc1 |r|
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n/an/a<0.00100n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity against recombinant human FXR transfected in human HuH-7 cells co-transfected with FRE-luciferase assessed as reduction in CDCA-i...

Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00640
BindingDB Entry DOI: 10.7270/Q2QZ2FKJ
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50286760
PNG
(CHEMBL4170032)
Show SMILES CC(C)C(=O)N1CCC(C[C@H](N2C(=O)CN(C2=O)c2ccc(Oc3ccccc3)cc2)c2nc3ccc(C)cc3n2C)CC1 |r|
Show InChI InChI=1S/C35H39N5O4/c1-23(2)34(42)38-18-16-25(17-19-38)21-31(33-36-29-15-10-24(3)20-30(29)37(33)4)40-32(41)22-39(35(40)43)26-11-13-28(14-12-26)44-27-8-6-5-7-9-27/h5-15,20,23,25,31H,16-19,21-22H2,1-4H3/t31-/m0/s1
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n/an/a<0.00100n/an/an/an/an/an/a



Hiroshima International University

Curated by ChEMBL


Assay Description
Antagonist activity at human FXR expressed in Huh7 cells assessed as inhibition of CDCA-induced FXR response element driven luciferase activity after...

Bioorg Med Chem 27: 2220-2227 (2019)


Article DOI: 10.1016/j.bmc.2019.04.029
BindingDB Entry DOI: 10.7270/Q2R49V2G
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50510487
PNG
(CHEMBL4569266)
Show SMILES CC(C)C(=O)N1CCC(C[C@H](N2C(=O)CN(C2=O)c2ccc(Oc3ccccc3)cc2)c2nc3cc(C)ccc3n2C)CC1 |r|
Show InChI InChI=1S/C35H39N5O4/c1-23(2)34(42)38-18-16-25(17-19-38)21-31(33-36-29-20-24(3)10-15-30(29)37(33)4)40-32(41)22-39(35(40)43)26-11-13-28(14-12-26)44-27-8-6-5-7-9-27/h5-15,20,23,25,31H,16-19,21-22H2,1-4H3/t31-/m0/s1
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n/an/a<0.00100n/an/an/an/an/an/a



Hiroshima International University

Curated by ChEMBL


Assay Description
Antagonist activity at human FXR expressed in Huh7 cells assessed as inhibition of CDCA-induced FXR response element driven luciferase activity after...

Bioorg Med Chem 27: 2220-2227 (2019)


Article DOI: 10.1016/j.bmc.2019.04.029
BindingDB Entry DOI: 10.7270/Q2R49V2G
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50510491
PNG
(CHEMBL4552760)
Show SMILES COc1ccc(Oc2ccc(cc2)N2CC(=O)N([C@@H](CC3CCN(CC3)C(=O)C(C)C)c3nc4ccc(C)cc4n3C)C2=O)cc1 |r|
Show InChI InChI=1S/C36H41N5O5/c1-23(2)35(43)39-18-16-25(17-19-39)21-32(34-37-30-15-6-24(3)20-31(30)38(34)4)41-33(42)22-40(36(41)44)26-7-9-28(10-8-26)46-29-13-11-27(45-5)12-14-29/h6-15,20,23,25,32H,16-19,21-22H2,1-5H3/t32-/m0/s1
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n/an/a<0.00100n/an/an/an/an/an/a



Hiroshima International University

Curated by ChEMBL


Assay Description
Antagonist activity at human FXR expressed in Huh7 cells assessed as inhibition of CDCA-induced FXR response element driven luciferase activity after...

Bioorg Med Chem 27: 2220-2227 (2019)


Article DOI: 10.1016/j.bmc.2019.04.029
BindingDB Entry DOI: 10.7270/Q2R49V2G
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50510491
PNG
(CHEMBL4552760)
Show SMILES COc1ccc(Oc2ccc(cc2)N2CC(=O)N([C@@H](CC3CCN(CC3)C(=O)C(C)C)c3nc4ccc(C)cc4n3C)C2=O)cc1 |r|
Show InChI InChI=1S/C36H41N5O5/c1-23(2)35(43)39-18-16-25(17-19-39)21-32(34-37-30-15-6-24(3)20-31(30)38(34)4)41-33(42)22-40(36(41)44)26-7-9-28(10-8-26)46-29-13-11-27(45-5)12-14-29/h6-15,20,23,25,32H,16-19,21-22H2,1-5H3/t32-/m0/s1
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n/an/a<0.00100n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity against recombinant human FXR transfected in human HuH-7 cells co-transfected with FRE-luciferase assessed as reduction in CDCA-i...

Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00640
BindingDB Entry DOI: 10.7270/Q2QZ2FKJ
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50553000
PNG
(CHEMBL4783205)
Show SMILES CC(C)C(=O)N1CCC(C[C@H](N2C(=O)CN(C2=O)c2ccc(Oc3ccc(F)cc3)cc2)c2nc3ccc(F)cc3n2C2CC2)CC1 |r|
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n/an/a 0.0500n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity against recombinant human FXR transfected in human HuH-7 cells co-transfected with FRE-luciferase assessed as reduction in CDCA-i...

Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00640
BindingDB Entry DOI: 10.7270/Q2QZ2FKJ
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50510495
PNG
(CHEMBL4453417)
Show SMILES CC(C)C(=O)N1CCC(C[C@H](N2C(=O)CN(C2=O)c2ccc(Oc3ccc(F)cc3)cc2)c2nc3ccc(C)cc3n2C)CC1 |r|
Show InChI InChI=1S/C35H38FN5O4/c1-22(2)34(43)39-17-15-24(16-18-39)20-31(33-37-29-14-5-23(3)19-30(29)38(33)4)41-32(42)21-40(35(41)44)26-8-12-28(13-9-26)45-27-10-6-25(36)7-11-27/h5-14,19,22,24,31H,15-18,20-21H2,1-4H3/t31-/m0/s1
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n/an/a 0.0500n/an/an/an/an/an/a



Hiroshima International University

Curated by ChEMBL


Assay Description
Antagonist activity at human FXR expressed in Huh7 cells assessed as inhibition of CDCA-induced FXR response element driven luciferase activity after...

Bioorg Med Chem 27: 2220-2227 (2019)


Article DOI: 10.1016/j.bmc.2019.04.029
BindingDB Entry DOI: 10.7270/Q2R49V2G
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50510495
PNG
(CHEMBL4453417)
Show SMILES CC(C)C(=O)N1CCC(C[C@H](N2C(=O)CN(C2=O)c2ccc(Oc3ccc(F)cc3)cc2)c2nc3ccc(C)cc3n2C)CC1 |r|
Show InChI InChI=1S/C35H38FN5O4/c1-22(2)34(43)39-17-15-24(16-18-39)20-31(33-37-29-14-5-23(3)19-30(29)38(33)4)41-32(42)21-40(35(41)44)26-8-12-28(13-9-26)45-27-10-6-25(36)7-11-27/h5-14,19,22,24,31H,15-18,20-21H2,1-4H3/t31-/m0/s1
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TBA

Assay Description
Antagonist activity against recombinant human FXR transfected in human HuH-7 cells co-transfected with FRE-luciferase assessed as reduction in CDCA-i...

Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00640
BindingDB Entry DOI: 10.7270/Q2QZ2FKJ
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50552999
PNG
(CHEMBL4749439)
Show SMILES CC(C)C(=O)N1CCC(C[C@H](N2C(=O)CN(C2=O)c2ccc(Oc3ccc(F)cc3)cc2)c2nc3ccc(C)cc3n2C2CC2)CC1 |r|
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n/an/a 0.0600n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity against recombinant human FXR transfected in human HuH-7 cells co-transfected with FRE-luciferase assessed as reduction in CDCA-i...

Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00640
BindingDB Entry DOI: 10.7270/Q2QZ2FKJ
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50552998
PNG
(CHEMBL4783777)
Show SMILES CC(C)C(=O)N1CCC(C[C@H](N2C(=O)CN(C2=O)c2ccc(Oc3ccc(F)cc3)cc2)c2nc3ccc(F)cc3n2C)CC1 |r|
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n/an/a 0.0900n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity against recombinant human FXR transfected in human HuH-7 cells co-transfected with FRE-luciferase assessed as reduction in CDCA-i...

Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00640
BindingDB Entry DOI: 10.7270/Q2QZ2FKJ
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50552996
PNG
(CHEMBL4785930)
Show SMILES COc1ccc(Oc2ccc(cc2)N2CC(=O)N([C@@H](CC3CCN(CC3)C(=O)C(C)C)c3nc4ccc(C)cc4n3C3CC3)C2=O)cc1 |r|
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n/an/a 0.110n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity against recombinant human FXR transfected in human HuH-7 cells co-transfected with FRE-luciferase assessed as reduction in CDCA-i...

Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00640
BindingDB Entry DOI: 10.7270/Q2QZ2FKJ
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50553001
PNG
(CHEMBL4778665)
Show SMILES CC(C)C(=O)N1CCC(C[C@H](N2C(=O)CN(C2=O)c2ccc(Oc3ccc(F)cc3)cc2)c2nc3ccccc3n2C2CC2)CC1 |r|
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n/an/a 1.80n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity against recombinant human FXR transfected in human HuH-7 cells co-transfected with FRE-luciferase assessed as reduction in CDCA-i...

Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00640
BindingDB Entry DOI: 10.7270/Q2QZ2FKJ
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50510488
PNG
(CHEMBL4519419)
Show SMILES CC(C)Cn1c(nc2ccc(C)cc12)[C@H](CC1CCN(CC1)C(=O)C(C)C)N1C(=O)CN(C1=O)c1ccc(Oc2ccccc2)cc1 |r|
Show InChI InChI=1S/C38H45N5O4/c1-25(2)23-42-33-21-27(5)11-16-32(33)39-36(42)34(22-28-17-19-40(20-18-28)37(45)26(3)4)43-35(44)24-41(38(43)46)29-12-14-31(15-13-29)47-30-9-7-6-8-10-30/h6-16,21,25-26,28,34H,17-20,22-24H2,1-5H3/t34-/m0/s1
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n/an/a 2.40n/an/an/an/an/an/a



Hiroshima International University

Curated by ChEMBL


Assay Description
Antagonist activity at human FXR expressed in Huh7 cells assessed as inhibition of CDCA-induced FXR response element driven luciferase activity after...

Bioorg Med Chem 27: 2220-2227 (2019)


Article DOI: 10.1016/j.bmc.2019.04.029
BindingDB Entry DOI: 10.7270/Q2R49V2G
More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus 1)		BDBM2483
PNG
((4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluor...)
Show SMILES FC(F)(F)[C@]1(OC(=O)Nc2ccc(Cl)cc12)C#CC1CC1 |r|
Show InChI InChI=1S/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m0/s1
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n/an/a 3.5n/an/an/an/an/an/a



Tokyo Medical and Dental University

Curated by ChEMBL


Assay Description
Binding affinity to HIV1 cYTA48P envelope glycoprotein gp120 infected in human TZM-b1 cells assessed as induction of conformational changes measured ...

Bioorg Med Chem Lett 29: 719-723 (2019)


Article DOI: 10.1016/j.bmcl.2019.01.011
BindingDB Entry DOI: 10.7270/Q2930XMP
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50510491
PNG
(CHEMBL4552760)
Show SMILES COc1ccc(Oc2ccc(cc2)N2CC(=O)N([C@@H](CC3CCN(CC3)C(=O)C(C)C)c3nc4ccc(C)cc4n3C)C2=O)cc1 |r|
Show InChI InChI=1S/C36H41N5O5/c1-23(2)35(43)39-18-16-25(17-19-39)21-32(34-37-30-15-6-24(3)20-31(30)38(34)4)41-33(42)22-40(36(41)44)26-7-9-28(10-8-26)46-29-13-11-27(45-5)12-14-29/h6-15,20,23,25,32H,16-19,21-22H2,1-5H3/t32-/m0/s1
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n/an/a 7n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at recombinant GST-tagged FXR LBD (unknown origin) assessed as inhibition of GW4064-induced Fluorecein-SRC2-2 coactivator peptide...

Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00640
BindingDB Entry DOI: 10.7270/Q2QZ2FKJ
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50510491
PNG
(CHEMBL4552760)
Show SMILES COc1ccc(Oc2ccc(cc2)N2CC(=O)N([C@@H](CC3CCN(CC3)C(=O)C(C)C)c3nc4ccc(C)cc4n3C)C2=O)cc1 |r|
Show InChI InChI=1S/C36H41N5O5/c1-23(2)35(43)39-18-16-25(17-19-39)21-32(34-37-30-15-6-24(3)20-31(30)38(34)4)41-33(42)22-40(36(41)44)26-7-9-28(10-8-26)46-29-13-11-27(45-5)12-14-29/h6-15,20,23,25,32H,16-19,21-22H2,1-5H3/t32-/m0/s1
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n/an/a 7n/an/an/an/an/an/a



Hiroshima International University

Curated by ChEMBL


Assay Description
Antagonist activity at GST-tagged FXR LBD (unknown origin) assessed as inhibition of GW4064-induced fluorecein-labeled SRC2-2 coactivator recruitment...

Bioorg Med Chem 27: 2220-2227 (2019)


Article DOI: 10.1016/j.bmc.2019.04.029
BindingDB Entry DOI: 10.7270/Q2R49V2G
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50552997
PNG
(CHEMBL4797745)
Show SMILES COc1ccc(Oc2ccc(cc2)N2CC(=O)N([C@@H](CC3CCN(CC3)C(=O)C(C)C)c3nc4ccc(F)cc4n3C)C2=O)cc1 |r|
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n/an/a 7.80n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at recombinant GST-tagged FXR LBD (unknown origin) assessed as inhibition of GW4064-induced Fluorecein-SRC2-2 coactivator peptide...

Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00640
BindingDB Entry DOI: 10.7270/Q2QZ2FKJ
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50510490
PNG
(CHEMBL4556659)
Show SMILES CC(C)C(=O)N1CCC(C[C@H](N2C(=O)CN(C2=O)c2ccc(Oc3ccc(Cl)cc3)cc2)c2nc3ccc(C)cc3n2C)CC1 |r|
Show InChI InChI=1S/C35H38ClN5O4/c1-22(2)34(43)39-17-15-24(16-18-39)20-31(33-37-29-14-5-23(3)19-30(29)38(33)4)41-32(42)21-40(35(41)44)26-8-12-28(13-9-26)45-27-10-6-25(36)7-11-27/h5-14,19,22,24,31H,15-18,20-21H2,1-4H3/t31-/m0/s1
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n/an/a 9.30n/an/an/an/an/an/a



Hiroshima International University

Curated by ChEMBL


Assay Description
Antagonist activity at human FXR expressed in Huh7 cells assessed as inhibition of CDCA-induced FXR response element driven luciferase activity after...

Bioorg Med Chem 27: 2220-2227 (2019)


Article DOI: 10.1016/j.bmc.2019.04.029
BindingDB Entry DOI: 10.7270/Q2R49V2G
More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus 1)		BDBM50568672
PNG
(CHEMBL4863234)
Show SMILES COCCOCCOCCOCCOCCNC(=O)CCC(=O)OC(CCCNC(N)=N)C(=O)NCCN1CCC(CC11CCCCC1)NC(=O)C(=O)Nc1ccc(Cl)cc1
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n/an/a 17n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HIV1 KP-5mvcR gp120 interaction with CD4 in human TZM-bl cells assessed as decrease in viral entry by MTT assay

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01153
BindingDB Entry DOI: 10.7270/Q2BC4399
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50510492
PNG
(CHEMBL4472554)
Show SMILES CC(C)NC(=O)N1CCC(C[C@H](N2C(=O)CN(C2=O)c2ccc(Oc3ccccc3)cc2)c2nc3ccc(C)cc3n2C)CC1 |r|
Show InChI InChI=1S/C35H40N6O4/c1-23(2)36-34(43)39-18-16-25(17-19-39)21-31(33-37-29-15-10-24(3)20-30(29)38(33)4)41-32(42)22-40(35(41)44)26-11-13-28(14-12-26)45-27-8-6-5-7-9-27/h5-15,20,23,25,31H,16-19,21-22H2,1-4H3,(H,36,43)/t31-/m0/s1
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n/an/a 18n/an/an/an/an/an/a



Hiroshima International University

Curated by ChEMBL


Assay Description
Antagonist activity at human FXR expressed in Huh7 cells assessed as inhibition of CDCA-induced FXR response element driven luciferase activity after...

Bioorg Med Chem 27: 2220-2227 (2019)


Article DOI: 10.1016/j.bmc.2019.04.029
BindingDB Entry DOI: 10.7270/Q2R49V2G
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50510490
PNG
(CHEMBL4556659)
Show SMILES CC(C)C(=O)N1CCC(C[C@H](N2C(=O)CN(C2=O)c2ccc(Oc3ccc(Cl)cc3)cc2)c2nc3ccc(C)cc3n2C)CC1 |r|
Show InChI InChI=1S/C35H38ClN5O4/c1-22(2)34(43)39-17-15-24(16-18-39)20-31(33-37-29-14-5-23(3)19-30(29)38(33)4)41-32(42)21-40(35(41)44)26-8-12-28(13-9-26)45-27-10-6-25(36)7-11-27/h5-14,19,22,24,31H,15-18,20-21H2,1-4H3/t31-/m0/s1
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n/an/a 27n/an/an/an/an/an/a



Hiroshima International University

Curated by ChEMBL


Assay Description
Antagonist activity at GST-tagged FXR LBD (unknown origin) assessed as inhibition of GW4064-induced fluorecein-labeled SRC2-2 coactivator recruitment...

Bioorg Med Chem 27: 2220-2227 (2019)


Article DOI: 10.1016/j.bmc.2019.04.029
BindingDB Entry DOI: 10.7270/Q2R49V2G
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50553000
PNG
(CHEMBL4783205)
Show SMILES CC(C)C(=O)N1CCC(C[C@H](N2C(=O)CN(C2=O)c2ccc(Oc3ccc(F)cc3)cc2)c2nc3ccc(F)cc3n2C2CC2)CC1 |r|
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n/an/a 33n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at recombinant GST-tagged FXR LBD (unknown origin) assessed as inhibition of GW4064-induced Fluorecein-SRC2-2 coactivator peptide...

Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00640
BindingDB Entry DOI: 10.7270/Q2QZ2FKJ
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50510495
PNG
(CHEMBL4453417)
Show SMILES CC(C)C(=O)N1CCC(C[C@H](N2C(=O)CN(C2=O)c2ccc(Oc3ccc(F)cc3)cc2)c2nc3ccc(C)cc3n2C)CC1 |r|
Show InChI InChI=1S/C35H38FN5O4/c1-22(2)34(43)39-17-15-24(16-18-39)20-31(33-37-29-14-5-23(3)19-30(29)38(33)4)41-32(42)21-40(35(41)44)26-8-12-28(13-9-26)45-27-10-6-25(36)7-11-27/h5-14,19,22,24,31H,15-18,20-21H2,1-4H3/t31-/m0/s1
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n/an/a 35n/an/an/an/an/an/a



Hiroshima International University

Curated by ChEMBL


Assay Description
Antagonist activity at GST-tagged FXR LBD (unknown origin) assessed as inhibition of GW4064-induced fluorecein-labeled SRC2-2 coactivator recruitment...

Bioorg Med Chem 27: 2220-2227 (2019)


Article DOI: 10.1016/j.bmc.2019.04.029
BindingDB Entry DOI: 10.7270/Q2R49V2G
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50286760
PNG
(CHEMBL4170032)
Show SMILES CC(C)C(=O)N1CCC(C[C@H](N2C(=O)CN(C2=O)c2ccc(Oc3ccccc3)cc2)c2nc3ccc(C)cc3n2C)CC1 |r|
Show InChI InChI=1S/C35H39N5O4/c1-23(2)34(42)38-18-16-25(17-19-38)21-31(33-36-29-15-10-24(3)20-30(29)37(33)4)40-32(41)22-39(35(40)43)26-11-13-28(14-12-26)44-27-8-6-5-7-9-27/h5-15,20,23,25,31H,16-19,21-22H2,1-4H3/t31-/m0/s1
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n/an/a 35n/an/an/an/an/an/a



Hiroshima International University

Curated by ChEMBL


Assay Description
Antagonist activity at GST-tagged FXR LBD (unknown origin) assessed as inhibition of GW4064-induced fluorecein-labeled SRC2-2 coactivator recruitment...

Bioorg Med Chem 27: 2220-2227 (2019)


Article DOI: 10.1016/j.bmc.2019.04.029
BindingDB Entry DOI: 10.7270/Q2R49V2G
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50510495
PNG
(CHEMBL4453417)
Show SMILES CC(C)C(=O)N1CCC(C[C@H](N2C(=O)CN(C2=O)c2ccc(Oc3ccc(F)cc3)cc2)c2nc3ccc(C)cc3n2C)CC1 |r|
Show InChI InChI=1S/C35H38FN5O4/c1-22(2)34(43)39-17-15-24(16-18-39)20-31(33-37-29-14-5-23(3)19-30(29)38(33)4)41-32(42)21-40(35(41)44)26-8-12-28(13-9-26)45-27-10-6-25(36)7-11-27/h5-14,19,22,24,31H,15-18,20-21H2,1-4H3/t31-/m0/s1
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n/an/a 35n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at recombinant GST-tagged FXR LBD (unknown origin) assessed as inhibition of GW4064-induced Fluorecein-SRC2-2 coactivator peptide...

Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00640
BindingDB Entry DOI: 10.7270/Q2QZ2FKJ
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50510482
PNG
(CHEMBL4463196)
Show SMILES CC(C)C(=O)N1CCC(C[C@@H](N2C(=O)CN(C2=O)c2ccc(Oc3ccccc3)cc2)c2nc3ccc(C)cc3n2C)CC1 |r|
Show InChI InChI=1S/C35H39N5O4/c1-23(2)34(42)38-18-16-25(17-19-38)21-31(33-36-29-15-10-24(3)20-30(29)37(33)4)40-32(41)22-39(35(40)43)26-11-13-28(14-12-26)44-27-8-6-5-7-9-27/h5-15,20,23,25,31H,16-19,21-22H2,1-4H3/t31-/m1/s1
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n/an/a 41n/an/an/an/an/an/a



Hiroshima International University

Curated by ChEMBL


Assay Description
Antagonist activity at human FXR expressed in Huh7 cells assessed as inhibition of CDCA-induced FXR response element driven luciferase activity after...

Bioorg Med Chem 27: 2220-2227 (2019)


Article DOI: 10.1016/j.bmc.2019.04.029
BindingDB Entry DOI: 10.7270/Q2R49V2G
More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus 1)		BDBM50568670
PNG
(CHEMBL4849790)
Show SMILES COCCOCCOCCOCCOCCNC(=O)CCC(=O)OC(CCCN)C(=O)NCCN1CCC(CC11CCCCC1)NC(=O)C(=O)Nc1ccc(Cl)cc1
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n/an/a 46n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HIV1 KP-5mvcR gp120 interaction with CD4 in human TZM-bl cells assessed as decrease in viral entry by MTT assay

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01153
BindingDB Entry DOI: 10.7270/Q2BC4399
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50510487
PNG
(CHEMBL4569266)
Show SMILES CC(C)C(=O)N1CCC(C[C@H](N2C(=O)CN(C2=O)c2ccc(Oc3ccccc3)cc2)c2nc3cc(C)ccc3n2C)CC1 |r|
Show InChI InChI=1S/C35H39N5O4/c1-23(2)34(42)38-18-16-25(17-19-38)21-31(33-36-29-20-24(3)10-15-30(29)37(33)4)40-32(41)22-39(35(40)43)26-11-13-28(14-12-26)44-27-8-6-5-7-9-27/h5-15,20,23,25,31H,16-19,21-22H2,1-4H3/t31-/m0/s1
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n/an/a 51n/an/an/an/an/an/a



Hiroshima International University

Curated by ChEMBL


Assay Description
Antagonist activity at GST-tagged FXR LBD (unknown origin) assessed as inhibition of GW4064-induced fluorecein-labeled SRC2-2 coactivator recruitment...

Bioorg Med Chem 27: 2220-2227 (2019)


Article DOI: 10.1016/j.bmc.2019.04.029
BindingDB Entry DOI: 10.7270/Q2R49V2G
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50510479
PNG
(CHEMBL4592488)
Show SMILES CC(C)C(=O)N1CCC(C[C@H](N2C(=O)CN(C2=O)c2ccc(OC3CCCCC3)cc2)c2nc3ccc(C)cc3n2C)CC1 |r|
Show InChI InChI=1S/C35H45N5O4/c1-23(2)34(42)38-18-16-25(17-19-38)21-31(33-36-29-15-10-24(3)20-30(29)37(33)4)40-32(41)22-39(35(40)43)26-11-13-28(14-12-26)44-27-8-6-5-7-9-27/h10-15,20,23,25,27,31H,5-9,16-19,21-22H2,1-4H3/t31-/m0/s1
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n/an/a 53n/an/an/an/an/an/a



Hiroshima International University

Curated by ChEMBL


Assay Description
Antagonist activity at human FXR expressed in Huh7 cells assessed as inhibition of CDCA-induced FXR response element driven luciferase activity after...

Bioorg Med Chem 27: 2220-2227 (2019)


Article DOI: 10.1016/j.bmc.2019.04.029
BindingDB Entry DOI: 10.7270/Q2R49V2G
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50510486
PNG
(CHEMBL4454185)
Show SMILES CC(C)S(=O)(=O)N1CCC(C[C@H](N2C(=O)CN(C2=O)c2ccc(Oc3ccccc3)cc2)c2nc3ccc(C)cc3n2C)CC1 |r|
Show InChI InChI=1S/C34H39N5O5S/c1-23(2)45(42,43)37-18-16-25(17-19-37)21-31(33-35-29-15-10-24(3)20-30(29)36(33)4)39-32(40)22-38(34(39)41)26-11-13-28(14-12-26)44-27-8-6-5-7-9-27/h5-15,20,23,25,31H,16-19,21-22H2,1-4H3/t31-/m0/s1
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n/an/a 60n/an/an/an/an/an/a



Hiroshima International University

Curated by ChEMBL


Assay Description
Antagonist activity at human FXR expressed in Huh7 cells assessed as inhibition of CDCA-induced FXR response element driven luciferase activity after...

Bioorg Med Chem 27: 2220-2227 (2019)


Article DOI: 10.1016/j.bmc.2019.04.029
BindingDB Entry DOI: 10.7270/Q2R49V2G
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50552996
PNG
(CHEMBL4785930)
Show SMILES COc1ccc(Oc2ccc(cc2)N2CC(=O)N([C@@H](CC3CCN(CC3)C(=O)C(C)C)c3nc4ccc(C)cc4n3C3CC3)C2=O)cc1 |r|
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n/an/a 63n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at recombinant GST-tagged FXR LBD (unknown origin) assessed as inhibition of GW4064-induced Fluorecein-SRC2-2 coactivator peptide...

Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00640
BindingDB Entry DOI: 10.7270/Q2QZ2FKJ
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50552998
PNG
(CHEMBL4783777)
Show SMILES CC(C)C(=O)N1CCC(C[C@H](N2C(=O)CN(C2=O)c2ccc(Oc3ccc(F)cc3)cc2)c2nc3ccc(F)cc3n2C)CC1 |r|
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n/an/a 65n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at recombinant GST-tagged FXR LBD (unknown origin) assessed as inhibition of GW4064-induced Fluorecein-SRC2-2 coactivator peptide...

Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00640
BindingDB Entry DOI: 10.7270/Q2QZ2FKJ
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50510497
PNG
(CHEMBL4461640)
Show SMILES Cc1ccc2nc([C@H](Cc3ccccc3)N3C(=O)CN(C3=O)c3ccc(Oc4ccccc4)cc3)n(C)c2c1 |r|
Show InChI InChI=1S/C32H28N4O3/c1-22-13-18-27-28(19-22)34(2)31(33-27)29(20-23-9-5-3-6-10-23)36-30(37)21-35(32(36)38)24-14-16-26(17-15-24)39-25-11-7-4-8-12-25/h3-19,29H,20-21H2,1-2H3/t29-/m0/s1
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n/an/a 81n/an/an/an/an/an/a



Hiroshima International University

Curated by ChEMBL


Assay Description
Antagonist activity at human FXR expressed in Huh7 cells assessed as inhibition of CDCA-induced FXR response element driven luciferase activity after...

Bioorg Med Chem 27: 2220-2227 (2019)


Article DOI: 10.1016/j.bmc.2019.04.029
BindingDB Entry DOI: 10.7270/Q2R49V2G
More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus 1)		BDBM50568675
PNG
(CHEMBL4863569)
Show SMILES COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCCN1CCC(CC11CCCCC1)NC(=O)C(=O)Nc1ccc(Cl)cc1 |r|
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n/an/a<100n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HIV1 KP-5mvcR gp120 interaction with CD4 in human TZM-bl cells assessed as decrease in viral entry by MTT assay

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01153
BindingDB Entry DOI: 10.7270/Q2BC4399
More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus 1)		BDBM50568674
PNG
(CHEMBL4873341)
Show SMILES COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCCN1CCC(CC11CCCCC1)NC(=O)C(=O)Nc1ccc(Cl)cc1 |r|
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n/an/a<100n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HIV1 KP-5mvcR gp120 interaction with CD4 in human TZM-bl cells assessed as decrease in viral entry by MTT assay

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01153
BindingDB Entry DOI: 10.7270/Q2BC4399
More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus 1)		BDBM50568661
PNG
(CHEMBL4863990)
Show SMILES NC(=N)NCCCCC(=O)NCCN1CCC(CC11CCCCC1)NC(=O)C(=O)Nc1ccc(Cl)cc1
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n/an/a 120n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HIV1 KP-5mvcR gp120 interaction with CD4 in human TZM-bl cells assessed as decrease in viral entry by MTT assay

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01153
BindingDB Entry DOI: 10.7270/Q2BC4399
More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus 1)		BDBM50568673
PNG
(CHEMBL4876176)
Show SMILES COCCOCCOCCOCCOCCNC(=O)CCC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCCN1CCC(CC11CCCCC1)NC(=O)C(=O)Nc1ccc(Cl)cc1 |r|
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n/an/a 130n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HIV1 KP-5mvcR gp120 interaction with CD4 in human TZM-bl cells assessed as decrease in viral entry by MTT assay

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01153
BindingDB Entry DOI: 10.7270/Q2BC4399
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50553001
PNG
(CHEMBL4778665)
Show SMILES CC(C)C(=O)N1CCC(C[C@H](N2C(=O)CN(C2=O)c2ccc(Oc3ccc(F)cc3)cc2)c2nc3ccccc3n2C2CC2)CC1 |r|
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n/an/a 140n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at recombinant GST-tagged FXR LBD (unknown origin) assessed as inhibition of GW4064-induced Fluorecein-SRC2-2 coactivator peptide...

Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00640
BindingDB Entry DOI: 10.7270/Q2QZ2FKJ
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))		BDBM50544025
PNG
(CHEMBL4636623)
Show SMILES CC(C)c1onc(c1COc1ccc(-c2nc3ccc(cc3n2CC2CCCCC2)C(O)=O)c(Cl)c1)-c1c(Cl)cccc1Cl |(68.63,-53.77,;69.25,-52.36,;70.79,-52.2,;68.35,-51.11,;66.81,-51.11,;66.33,-49.65,;67.58,-48.74,;68.82,-49.65,;70.29,-49.17,;71.44,-50.2,;72.91,-49.73,;74.05,-50.76,;75.51,-50.28,;75.84,-48.77,;77.3,-48.3,;78.55,-49.2,;79.79,-48.29,;81.29,-48.6,;82.32,-47.46,;81.84,-45.99,;80.34,-45.68,;79.32,-46.83,;77.78,-46.83,;76.86,-45.58,;77.49,-44.18,;79.01,-44.02,;79.63,-42.62,;78.73,-41.38,;77.21,-41.54,;76.58,-42.95,;82.86,-44.84,;84.37,-45.15,;82.37,-43.37,;74.68,-47.74,;74.99,-46.23,;73.22,-48.22,;67.57,-47.19,;68.91,-46.42,;70.25,-47.19,;68.9,-44.86,;67.56,-44.1,;66.23,-44.87,;66.23,-46.42,;64.9,-47.19,)|
Show InChI InChI=1S/C34H32Cl3N3O4/c1-19(2)32-24(31(39-44-32)30-25(35)9-6-10-26(30)36)18-43-22-12-13-23(27(37)16-22)33-38-28-14-11-21(34(41)42)15-29(28)40(33)17-20-7-4-3-5-8-20/h6,9-16,19-20H,3-5,7-8,17-18H2,1-2H3,(H,41,42)
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n/an/a 160n/an/an/an/an/an/a



Hiroshima International University

Curated by ChEMBL


Assay Description
Antagonist activity at human VDR transfected in HEK293T cells measured after 24 hrs by luciferase reporter gene assay

Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115512
BindingDB Entry DOI: 10.7270/Q20G3PQ8
More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus 1)		BDBM50333241
PNG
(CHEMBL254781 | N-(4-chlorophenyl)-N'-(2,2,6,6-tetr...)
Show SMILES CC1(C)CC(CC(C)(C)N1)NC(=O)C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C17H24ClN3O2/c1-16(2)9-13(10-17(3,4)21-16)20-15(23)14(22)19-12-7-5-11(18)6-8-12/h5-8,13,21H,9-10H2,1-4H3,(H,19,22)(H,20,23)
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n/an/a 170n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HIV1 KP-5mvcR gp120 interaction with CD4 in human TZM-bl cells assessed as decrease in viral entry by MTT assay

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01153
BindingDB Entry DOI: 10.7270/Q2BC4399
More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus 1)		BDBM50333241
PNG
(CHEMBL254781 | N-(4-chlorophenyl)-N'-(2,2,6,6-tetr...)
Show SMILES CC1(C)CC(CC(C)(C)N1)NC(=O)C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C17H24ClN3O2/c1-16(2)9-13(10-17(3,4)21-16)20-15(23)14(22)19-12-7-5-11(18)6-8-12/h5-8,13,21H,9-10H2,1-4H3,(H,19,22)(H,20,23)
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n/an/a 170n/an/an/an/an/an/a



Tokyo Medical and Dental University

Curated by ChEMBL


Assay Description
Binding affinity to HIV1 cYTA48P envelope glycoprotein gp120 infected in human TZM-b1 cells assessed as induction of conformational changes measured ...

Bioorg Med Chem Lett 29: 719-723 (2019)


Article DOI: 10.1016/j.bmcl.2019.01.011
BindingDB Entry DOI: 10.7270/Q2930XMP
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50510479
PNG
(CHEMBL4592488)
Show SMILES CC(C)C(=O)N1CCC(C[C@H](N2C(=O)CN(C2=O)c2ccc(OC3CCCCC3)cc2)c2nc3ccc(C)cc3n2C)CC1 |r|
Show InChI InChI=1S/C35H45N5O4/c1-23(2)34(42)38-18-16-25(17-19-38)21-31(33-36-29-15-10-24(3)20-30(29)37(33)4)40-32(41)22-39(35(40)43)26-11-13-28(14-12-26)44-27-8-6-5-7-9-27/h10-15,20,23,25,27,31H,5-9,16-19,21-22H2,1-4H3/t31-/m0/s1
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n/an/a 180n/an/an/an/an/an/a



Hiroshima International University

Curated by ChEMBL


Assay Description
Antagonist activity at GST-tagged FXR LBD (unknown origin) assessed as inhibition of GW4064-induced fluorecein-labeled SRC2-2 coactivator recruitment...

Bioorg Med Chem 27: 2220-2227 (2019)


Article DOI: 10.1016/j.bmc.2019.04.029
BindingDB Entry DOI: 10.7270/Q2R49V2G
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50552999
PNG
(CHEMBL4749439)
Show SMILES CC(C)C(=O)N1CCC(C[C@H](N2C(=O)CN(C2=O)c2ccc(Oc3ccc(F)cc3)cc2)c2nc3ccc(C)cc3n2C2CC2)CC1 |r|
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n/an/a 183n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at recombinant GST-tagged FXR LBD (unknown origin) assessed as inhibition of GW4064-induced Fluorecein-SRC2-2 coactivator peptide...

Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00640
BindingDB Entry DOI: 10.7270/Q2QZ2FKJ
More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus 1)		BDBM50568663
PNG
(CHEMBL4859187)
Show SMILES NC(=N)NCC(=O)NCCCC[C@H](NC(N)=N)C(=O)NCCN1CCC(CC11CCCCC1)NC(=O)C(=O)Nc1ccc(Cl)cc1 |r|
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n/an/a 230n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HIV1 KP-5mvcR gp120 interaction with CD4 in human TZM-bl cells assessed as decrease in viral entry by MTT assay

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01153
BindingDB Entry DOI: 10.7270/Q2BC4399
More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus 1)		BDBM50568669
PNG
(CHEMBL4853102)
Show SMILES CCCCCCCCCCCCCCCCNC(=O)CCC(=O)OC(CCCN)C(=O)NCCN1CCC(CC11CCCCC1)NC(=O)C(=O)Nc1ccc(Cl)cc1
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n/an/a 250n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HIV1 KP-5mvcR gp120 interaction with CD4 in human TZM-bl cells assessed as decrease in viral entry by MTT assay

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01153
BindingDB Entry DOI: 10.7270/Q2BC4399
More data for this
Ligand-Target Pair
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